V029-1949 Screening compound: 5-(4-tert-butylbenzamido)-1-[(3-methylphenyl)methyl]-N-[2-(pyridin-2-yl)ethyl]-1H-indole-2-carboxamide

V029-1949 Screening compound: 5-(4-tert-butylbenzamido)-1-[(3-methylphenyl)methyl]-N-[2-(pyridin-2-yl)ethyl]-1H-indole-2-carboxamide
V029-1949 Screening compound: 5-(4-tert-butylbenzamido)-1-[(3-methylphenyl)methyl]-N-[2-(pyridin-2-yl)ethyl]-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-1949
5-(4-tert-butylbenzamido)-1-[(3-methylphenyl)methyl]-N-[2-(pyridin-2-yl)ethyl]-1H-indole-2-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V029-1949

Molecular Formula

C35H36N4O2 (C35 H36 N4 O2)

Compound Name

5-(4-tert-butylbenzamido)-1-[(3-methylphenyl)methyl]-N-[2-(pyridin-2-yl)ethyl]-1H-indole-2-carboxamide

IUPAC name

5-(4-tert-butylbenzamido)-1-[(3-methylphenyl)methyl]-N-[2-(pyridin-2-yl)ethyl]-1H-indole-2-carboxamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc(cc1)cc2c1n(Cc1cc(C)ccc1)c(C(NCCc1ncccc1)=O)c2)=O

InChI

InChI=1S/C35H36N4O2/c1-24-8-7-9-25(20-24)23-39-31-16-15-30(38-33(40)26-11-13-28(14-12-26)35(2,3)4)21-27(31)22-32(39)34(41)37-19-17-29-10-5-6-18-36-29/h5-16,18,20-22H,17,19,23H2,1-4H3,(H,37,41)(H,38,40)

InChI Key

MOLUNXZXPBTNDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19779506

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

544.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.380

Distribution Coefficient, logD

7.379

Water Solubility, LogSw

-5.56

Polar Surface Area

57.582

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.90

V029-1949 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Indole Derivatives (10091 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V029-1949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-1949?
Check Price and Availability of V029-1949, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V029-1949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-1949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-1949
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V029-1949 available by request